BioLiP

PDB

BioLiP

PDB CCD ID:

GMO

Number of entries in BioLiP:

Chemical formula:

C15 H16 N4 O6

InChI:

InChI=1S/C15H16N4O6/c1-8(20)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(5-3-9)19(24)25/h2-6,8,13,20H,7,16H2,1H3,(H,21,22)/b11-6-/t8-,13+/m1/s1

InChIKey:

JQDXBTBETHQVKZ-NGDPAIJVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(C(C1=NC(=Cc2ccc(cc2)[N+](=O)[O-])C(=O)N1CC(=O)O)N)O
CACTVS 3.385	C[C@@H](O)[C@H](N)C1=NC(=C\c2ccc(cc2)[N+]([O-])=O)/C(=O)N1CC(O)=O
OpenEye OEToolkits 2.0.6	C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=O)N1CC(=O)O)N)O
ACDLabs 12.01	NC(C2=NC(=[C@H]c1ccc(cc1)[N+]([O-])=O)C(N2CC(O)=O)=O)C(O)C
CACTVS 3.385	C[CH](O)[CH](N)C1=NC(=Cc2ccc(cc2)[N+]([O-])=O)C(=O)N1CC(O)=O

Name:

{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
PEPTIDE DERIVED CHROMOPHORE

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).